CID 10511017

2-(pyridin-3-yl)propanoic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(C1=CN=CC=C1)C(=O)O
InChI
InChI=1S/C8H9NO2/c1-6(8(10)11)7-3-2-4-9-5-7/h2-6H,1H3,(H,10,11)
InChIKey
RVSGAPGURIPIFA-UHFFFAOYSA-N
Compound name
2-pyridin-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

409
Patents

151.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.8
[M+Na]+ 174.05254 137.0
[M-H]- 150.05604 130.8
[M+NH4]+ 169.09714 148.7
[M+K]+ 190.02648 135.7
[M+H-H2O]+ 134.06058 123.7
[M+HCOO]- 196.06152 150.6
[M+CH3COO]- 210.07717 173.1
[M+Na-2H]- 172.03799 135.7
[M]+ 151.06277 128.9
[M]- 151.06387 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe